TL;DR: ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate (CAS 1359973-85-5) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(E)-[[3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(3-(4-isopropoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, ME 4-(2-((3-(4-ISOPROPOXY-PH)-1H-PYRAZOL-5-YL)CARBONYL)CARBOHYDRAZONOYL)BENZOATE, methyl 4-[(E)-[[3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C22H22N4O4 |
| Molecular Weight | 406.1641 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1641 Da |
| Heavy Atoms | 30 |
| Complexity | 596.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC |
| InChIKey | WZACDRCCYXZHML-YDZHTSKRSA-N |
The XLogP value of 3.7 indicates that ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate. Following Lipinski's Rule of Five, ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate is 1359973-85-5.
The molecular formula of ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate is C22H22N4O4.
The molecular weight of ME 4-(2-((3-(4-Isopropoxy-PH)-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoate is 406.1641 g/mol.
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